Cas no 51554-34-8 ()
structure
Product Name:
CAS No:51554-34-8
MF:C12H17N6O6P
MW:372.273742437363
CID:6681672
PubChem ID:91666332
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C12H17N6O6P/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-7(19)8-5(23-11)3-22-25(20,21)24-8/h4-5,7-8,11,19H,3H2,1-2H3,(H,20,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
- InChI Key： ZFUMAUHEFAVXMU-IOSLPCCCSA-N
- SMILES： P1(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC(N(C)C)=NC3=4)O2)O)O1
Computed Properties
- Exact Mass: 372.09471928g/mol
- Monoisotopic Mass: 372.09471928g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 570
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 158?2
Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides 3',5'-cyclic purine nucleotides
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Cyclic purine nucleotides 3',5'-cyclic purine nucleotides
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